MMsINC Database Search


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MMsINC code: MMs02232415

Type: Neutral
Formula: C₂₃H₃₂O₂

SMILES:

O(C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)Cc1ccc(OC)cc1

InChI:

InChI=1/C23H32O2/c1-22(2,3)18-14-17(13-16-9-11-19(24-7)12-10-16)21(25-8)20(15-18)23(4,5)6/h9-12,14-15H,13H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.86 kcal/mol

Physical Properties
Molecular Weight: 340.507 g/mol	logS: -7.01428	SlogP: 5.88957	Reactive groups: 0

Topological Properties
Globularity: 0.201656	Sterimol/B1: 2.32149	Sterimol/B2: 4.02487	Sterimol/B3: 4.64463
Sterimol/B4: 9.34219	Sterimol/L: 15.1989

Surface and Volume Properties
Accessible surface: 619.276	Positive charged surface: 448.295	Negative charged surface: 170.981	Volume: 373.125
Hydrophobic surface: 509.885	Hydrophilic surface: 109.391

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.